Abstract #1985

Stoyanova R, Du S, Brown T, Sajda P, Zhao Q

The quantity and complexity of spectroscopic data obtained from metabolomic studies has made data interpretation very difficult. The challenges stem not only from the need to apply data processing procedures to large sets of spectra and connect them with auxiliary information about the samples, but also the necessity to invoke pattern recognition methods to ensure optimal information retrieval. Most existing software deals only with a few aspects of this process and in general acts on a single spectrum. Here we present a software tool, High Resolution Spectroscopy (HiRes), to address all these challenges and provide comprehensive analysis of metabolomic datasets.